vivek sharma wrote:
Hi There,
I am trying to run MD simulation for screening my docking result, but I
am not aware of what are the parameters and analysis we can do for
docking by using MD simulation.
That depends entirely upon the scope of your question and what you want to
learn. Are you running MD on docked configurations, or are you trying to study
ligand binding by MD?
What is it that you are trying to investigate? This question will largely
motivate what type of analysis you do.
-Justin
If anybody have tried the similiar things using GROMACS, Please help me
in this regard.
With Thanks,
VIvek
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
